| About this Abstract |
| Meeting |
2011 TMS Annual Meeting & Exhibition
|
| Symposium
|
Bulk Metallic Glasses VIII
|
| Presentation Title |
Local Atomic Structure of Ca-Mg-Zn Bulk Metallic Glasses |
| Author(s) |
Oleg N. Senkov, Emma R. Barney, Yongqiang Cheng, Daniel B. Miracle, Evan Ma, Alex C Hannon |
| On-Site Speaker (Planned) |
Oleg N. Senkov |
| Abstract Scope |
Amorphous structure of ternary Ca<SUB>60</SUB>Mg<SUB>X</SUB>Zn<SUB>40-X</SUB> metallic glasses (X = 10, 15, 20, and 25 at.%) was modeled by Reverse Monte Carlo (RMC) and <I>ab initio</I> Molecular Dynamics (MD) techniques. The RMC and MD modeled structures were statistically the same and consistent with experimental neutron and X-ray diffraction data. The amorphous structure was described as a mixture of Mg and Zn centered atomic clusters, with Ca dominating in the first shell. A coordination number (CN) of 10 (with about 7 Ca and 3 (Mg+Zn) atoms) was most common for the Zn-centered clusters. CN = 11 and 12 (with about 7-8 Ca and 4 (Mg+Zn) atoms) were most common for Mg-centered clusters. Analysis of the neighbor environment and bond angle distributions suggested near-equilateral triangles and pentagonal bipyramids to be the most common nearest atom configurations. The results were compared with recently proposed cluster packing models. |
| Proceedings Inclusion? |
Undecided |